|
Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
153
Total Number of Articles : 160
|
| PubChem |
11214940
|
| Molecular Formula |
C30H31ClN4O4 |
| SMILES |
CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl |
| InChI |
InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3 |
| synonyms |
- ERASTIN
- 571203-78-6
- 2-[1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-Quinazolinone
- 2-(1-(4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)ethyl)-3-(2-ethoxyphenyl)quinazolin-4(3H)-one
- MFCD09837984
- 2-[1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
- 2-(1-(4-(2-(4-Chlorophenoxy)acetyl)-1-piperazinyl)ethyl)-3-(2-ethoxyphenyl)-4(3H)-quinazolinone
- 2-(1-(4-(2-(4-Chlorophenoxy)acetyl)piperazin-1-yl)ethyl)-3-(2-ethoxyphenyl)quinazolin-4-one
- 2-[1-[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone;
- ZJA3NS42T9
- CHEMBL401989
- SCHEMBL4457820
- Erastin, >=98% (HPLC)
- CHEBI:94287
- DTXSID80458949
- EX-A295
- HMS3653K21
- HMS3868M03
- BCP27907
- WXA20378
- BDBM50376126
- s7242
- AKOS025147365
- CCG-269987
- CS-1675
- Erastin - CAS 571203-78-6
- SB19588
- NCGC00351608-10
- NCGC00351608-14
- AC-35446
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| Properties |
| Property |
Value |
| MW |
547.0 g/mol |
| HBD |
0 |
| HBA |
6 |
| Rotatable Bond Count |
8 |
| Exact Mass |
546.2033832 g/mol |
| Monoisotopic Mass |
546.2033832 g/mol |
| Heavy Atom Count |
39 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
871 |
| xlogp |
4.8 |
| Topological Polar Surface Area |
74.7 |
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